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Basic Information
CAS No.: 399-92-8
Name: ETHYL 2,3,3,3-TETRAFLUOROPROPIONATE
Article Data: 15
Molecular Structure:
Molecular Structure of 399-92-8 (ETHYL 2,3,3,3-TETRAFLUOROPROPIONATE)
Formula: C5H6F4O2
Molecular Weight: 174.095
Synonyms: Propionicacid, 2,3,3,3-tetrafluoro-, ethyl ester (6CI,8CI);Ethyl2,3,3,3-tetrafluoropropanoate;Ethyl 2,3,3,3-tetrafluoropropionate;
Density: 1.272 g/cm3
Boiling Point: 105.5 °C at 760 mmHg
Flash Point: 18.2 °C
Hazard Symbols: IrritantXi
PSA: 26.30000
LogP: 1.44990
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Specification

The CAS registry number of Propanoic acid,2,3,3,3-tetrafluoro-, ethyl ester is 399-92-8. This chemical is also named as Ethyl 2,3,3,3-tetrafluoropropionate. In addition, its molecular formula is C5H6F4O2 and molecular weight is 174.09. Its systematic name is called Ethyl 2,3,3,3-tetrafluoropropanoate. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Propanoic acid,2,3,3,3-tetrafluoro-, ethyl ester are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.39; (6)ACD/BCF (pH 7.4): 6.39; (7)ACD/KOC (pH 5.5): 131.29; (8)ACD/KOC (pH 7.4): 131.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.325; (13)Molar Refractivity: 27.56 cm3; (14)Molar Volume: 136.7 cm3; (15)Surface Tension: 19.2 dyne/cm; (16)Density: 1.272 g/cm3; (17)Flash Point: 18.2 °C; (18)Enthalpy of Vaporization: 34.44 kJ/mol; (19)Boiling Point: 105.5 °C at 760 mmHg; (20)Vapour Pressure: 29.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(F)C(=O)OCC
(2)InChI: InChI=1/C5H6F4O2/c1-2-11-4(10)3(6)5(7,8)9/h3H,2H2,1H3
(3)InChIKey: YJROLMPBFOAPOX-UHFFFAOYAJ